Here, we investigate the role of a dilute hydrophobic gas on the phase behavior of water confined in hydrophobic nanopores. Molecular dynamics showed that gas atoms are hydrophobically attracted within the pores, where even a single particle is able to induce spontaneous drying of the whole pore. The drying process is rationalized in terms of its free-energy landscape, revealing that the penetration of a gas atom is able to suppress the drying free-energy barriers of hydrophobic pores. Results provide insights into the role of gases on the wettability of nanopores and evidence of a possibile physical mechanism for the action of volatile anesthetics on some kinds of ion channels. Results also indicate a novel, bioinspired strategy for controlling bubble formation in nanopores for sensing and energy applications.

Camisasca, G., Tinti, A., Giacomello, A. (2020). Gas-Induced Drying of Nanopores. THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 11(21), 9171-9177 [10.1021/acs.jpclett.0c02600].

Gas-Induced Drying of Nanopores

Camisasca G.;
2020-01-01

Abstract

Here, we investigate the role of a dilute hydrophobic gas on the phase behavior of water confined in hydrophobic nanopores. Molecular dynamics showed that gas atoms are hydrophobically attracted within the pores, where even a single particle is able to induce spontaneous drying of the whole pore. The drying process is rationalized in terms of its free-energy landscape, revealing that the penetration of a gas atom is able to suppress the drying free-energy barriers of hydrophobic pores. Results provide insights into the role of gases on the wettability of nanopores and evidence of a possibile physical mechanism for the action of volatile anesthetics on some kinds of ion channels. Results also indicate a novel, bioinspired strategy for controlling bubble formation in nanopores for sensing and energy applications.
Camisasca, G., Tinti, A., Giacomello, A. (2020). Gas-Induced Drying of Nanopores. THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 11(21), 9171-9177 [10.1021/acs.jpclett.0c02600].
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11590/378838
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